Single-crystal X-ray diffraction investigation of the reversible order-disorder 
phase transition in iron-deficient TlFe2-xSe2

Ahrens, E.; Nitsche, F.; Doert, Th.; Ruck, M.

doi:10.1002/crat.201300223

Local TagsRelease HistoryDetailsSummary

Single-crystal X-ray diffraction investigation of the reversible order-disorder phase transition in iron-deficient TlFe_2-xSe₂

Ahrens, E., Nitsche, F., Doert, T., & Ruck, M. (2014). Single-crystal X-ray diffraction investigation of the reversible order-disorder phase transition in iron-deficient TlFe_2-xSe₂. Crystal Research and Technology, 49(1), 32-37. doi:10.1002/crat.201300223.

Item is Released

show all hide all

Basic

show hide

Item Permalink: https://hdl.handle.net/11858/00-001M-0000-0019-E4CE-9 Version Permalink: https://hdl.handle.net/11858/00-001M-0000-0019-E4D2-E

Genre: Journal Article

Files

show Files

Locators

show

Creators

show

hide

Creators:
Ahrens, E.¹, Author
Nitsche, F.¹, Author
Doert, Th.¹, Author
Ruck, M.², Author

Affiliations:
1external, ou_persistent22
2Michael Ruck, Max Planck Fellow, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863444

Content

show

hide

Free keywords: -

Abstract: A reversible phase transition was found for iron-deficient TlFe2-xSe2 (x approximate to 0.4) and investigated on single crystals using high temperature synchrotron radiation X-ray diffraction. Full data sets have been collected at room temperature and at 200 degrees C to evaluate the structures. The high-temperature form (space group I4/mmm, lattice parameters a = 3.8919(3) angstrom, c = 14.027(3) angstrom) shows complete statistical disorder of iron positions and vacancies in a ThCr2Si2 type structure. The low-temperature form corresponds to a root 5 x root 5 superstructure of the ThCr2Si2 type (I4/m, a = 8.6966(2) angstrom, c = 14.009(9) angstrom) and shows partial ordering of iron positions and vacancies. A group-subgroup relation can be compiled between both structures. (c) 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim

Details

show

hide

Language(s):

Dates: Date issued: 2014-01-01

Publication Status: Issued

Pages: -

Publishing info: -

Table of Contents: -

Rev. Type: -

Identifiers: ISI: 000337297500006
DOI: 10.1002/crat.201300223

Degree: -

Event

show

Legal Case

show

Project information

show

Source 1

show

hide

Title: Crystal Research and Technology

Source Genre: Journal

Creator(s):

Affiliations:

Publ. Info: Berlin, Fed. Rep. of Germany : Wiley-VCH

Pages: - Volume / Issue: 49 (1) Sequence Number: - Start / End Page: 32 - 37 Identifier: ISSN: 0232-1300
CoNE: https://pure.mpg.de/cone/journals/resource/954928496432